The ability to predict ADMET (Absorption, Distribution, Metabolism, Excretion and Toxicity) properties is critical to accelerating new medicine discovery. In an effort to improve predictive
Tag: molecular visualisation
One of the advantages of Apple Silicon is we are starting to see applications that take advantage of the new hardware. Raymol is a free
There are a number of molecular visualisation tools available (many are now showing their age), but this looks an interesting addition A modern, legacy-free molecular visualizer modeled
The latest update of the popular Biomolecular visualisation tool ChimeraX has been released, including some exciting new features, https://www.rbvi.ucsf.edu/chimerax/download.html This update includes – OpenFold3 structure
Avogadro is a free and open source molecular editor and visualization tool. The new release of Avogadro 2, is a major update, and includes major
UCSF ChimeraX version 1.9 has been released! ChimeraX includes user documentation and is free for noncommercial use.Download for Windows, Linux, and MacOS from:https://www.rbvi.ucsf.edu/chimerax/download.html Updates since
UCSF ChimeraX version 1.8 has been released, and can be downloaded here. https://www.rbvi.ucsf.edu/chimerax/download.html This update includes – show worm depictions of attribute values (B-factor, conservation,
Another molecule viewer, MolX viewer from Genophore is an intuitive biomolecule and small molecule viewer. https://genophore.com/app/protein_structures/standalone_molx/ The standalone viewer is pretty fully featured, but there
Interesting paper on Biorxiv https://www.biorxiv.org/content/10.1101/2023.09.27.559736v1.full.pdf We propose a method dedicated to finding antibodies in cryo-EM densities : CrAI. This machine learning method leverages the conserved structure
An excellent brief introduction to PyMOL 3.0.